ChemSpider 2D Image | N-[(3-Chlorophenyl)carbamoyl]-L-leucyl-D-tryptophyl-beta-alanine | C27H32ClN5O5

N-[(3-Chlorophenyl)carbamoyl]-L-leucyl-D-tryptophyl-β-alanine

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID23127450

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-[(3-Chlorophenyl)carbamoyl]-L-leucyl-D-tryptophyl-β-alanine [ACD/IUPAC Name]
N-[(3-Chlorophényl)carbamoyl]-L-leucyl-D-tryptophyl-β-alanine [French] [ACD/IUPAC Name]
N-[(3-Chlorphenyl)carbamoyl]-L-leucyl-D-tryptophyl-β-alanin [German] [ACD/IUPAC Name]
β-Alanine, N-[[(3-chlorophenyl)amino]carbonyl]-L-leucyl-D-tryptophyl- [ACD/Index Name]
3-[(S)-2-{(S)-2-[3-(3-Chloro-phenyl)-ureido]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionylamino]-propionic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 861.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 474.9±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 24.37
ACD/KOC (pH 5.5): 153.16
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 152 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 405.6±3.0 cm3

Click to predict properties on the Chemicalize site


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